4-amino-1-[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(3,4-difluorophenyl)butan-1-one

C25H21ClF3N3O2 — CID 153227262

IUPAC4-amino-1-[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(3,4-difluorophenyl)butan-1-one
SMILESCc1nc2c(OCc3c(F)cccc3Cl)cccn2c1C(=O)CC(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C25H21ClF3N3O2/c1-14-24(22(33)11-16(12-30)15-7-8-20(28)21(29)10-15)32-9-3-6-23(25(32)31-14)34-13-17-18(26)4-2-5-19(17)27/h2-10,16H,11-13,30H2,1H3
InChIKeyWOVRUDFGMWHOCK-UHFFFAOYSA-N
MW487.91 g/mol
LogP5.61
Rot. Bonds8

About 4-amino-1-[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(3,4-difluorophenyl)butan-1-one

4-amino-1-[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(3,4-difluorophenyl)butan-1-one (PubChem CID 153227262) has the molecular formula C25H21ClF3N3O2 and a molecular weight of 487.91 g/mol. Its IUPAC name is 4-amino-1-[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(3,4-difluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(3,4-difluorophenyl)butan-1-one
PubChem CID153227262
Molecular FormulaC25H21ClF3N3O2
Molecular Weight487.91 g/mol
Exact Mass487.13
IUPAC Name4-amino-1-[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(3,4-difluorophenyl)butan-1-one
SMILESCc1nc2c(OCc3c(F)cccc3Cl)cccn2c1C(=O)CC(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C25H21ClF3N3O2/c1-14-24(22(33)11-16(12-30)15-7-8-20(28)21(29)10-15)32-9-3-6-23(25(32)31-14)34-13-17-18(26)4-2-5-19(17)27/h2-10,16H,11-13,30H2,1H3
InChIKeyWOVRUDFGMWHOCK-UHFFFAOYSA-N
XLogP5.61
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.91
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(3,4-difluorophenyl)butan-1-one?
The IUPAC name of 4-amino-1-[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(3,4-difluorophenyl)butan-1-one (CID 153227262) is 4-amino-1-[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(3,4-difluorophenyl)butan-1-one.
What is the SMILES notation for 4-amino-1-[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(3,4-difluorophenyl)butan-1-one?
The canonical SMILES for 4-amino-1-[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(3,4-difluorophenyl)butan-1-one is Cc1nc2c(OCc3c(F)cccc3Cl)cccn2c1C(=O)CC(CN)c1ccc(F)c(F)c1.
What is the InChIKey of 4-amino-1-[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(3,4-difluorophenyl)butan-1-one?
The InChIKey is WOVRUDFGMWHOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF3N3O2/c1-14-24(22(33)11-16(12-30)15-7-8-20(28)21(29)10-15)32-9-3-6-23(25(32)31-14)34-13-17-18(26)4-2-5-19(17)27/h2-10,16H,11-13,30H2,1H3.
What are the key properties of 4-amino-1-[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(3,4-difluorophenyl)butan-1-one?
4-amino-1-[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(3,4-difluorophenyl)butan-1-one has a molecular weight of 487.91 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[8-[(2-chloro-6-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(3,4-difluorophenyl)butan-1-one is sourced from PubChem (CID 153227262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).